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CAS 18179-40-3 2-HYDROXY-5-IODOBENZAMIDE molecular structure lightbox
CAS RN: 18179-40-3

2-HYDROXY-5-IODOBENZAMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251223 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-082609
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 18179-40-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

18179-40-3 / 2-hydroxy-5-iodobenzamide

Standard CAS: 18179-40-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18179-40-3
Multi CAS
No
Molecular Formula
C7H6INO2
Molecular Weight
263.030000
Exact Mass
262.944330
SMILES
C1=CC(=C(C=C1I)C(=O)N)O
InChI
InChI=1S/C7H6INO2/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3,10H,(H2,9,11)
InChIKey
DATPWLOVEIACJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.34
TPSA
63.32

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
2.4
Consensus LogP
1.49
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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